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many-body_expansion [2023/10/19 14:15] – [Mixed water–ammonia cluster] maymany-body_expansion [2023/10/19 14:15] – [Single calculation on 64 water molecules in periodic boundary conditions] may
Line 609: Line 609:
 orient,noorient orient,noorient
 geomtyp=xyz geomtyp=xyz
-geom=water64.xyz+geometry=water64.xyz
 basis=avdz basis=avdz
 {pbc,latt_type='CUBIC',boxsize=12.4297299} {pbc,latt_type='CUBIC',boxsize=12.4297299}